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We revisit the accuracy of the variational Monte Carlo (VMC) method by taking an example of ground state properties for the one-dimensional Hubbard model. We start from the variational wave functions with the Gutzwiller and long-range…

Strongly Correlated Electrons · Physics 2013-08-13 Ryui Kaneko , Satoshi Morita , Masatoshi Imada

We provide a unified, comprehensive treatment of all operators that contribute to the anti-ferromagnetic, ferromagnetic, and charge-density-wave structure factors and order parameters of the hexagonal Hubbard Model. We use the Hybrid Monte…

Strongly Correlated Electrons · Physics 2021-11-01 Johann Ostmeyer , Evan Berkowitz , Stefan Krieg , Timo A. Lähde , Thomas Luu , Carsten Urbach

We describe in detail a simple and efficient Green Function Monte Carlo technique for computing both the ground state energy and the ground state properties by the ``forward walking'' scheme. The simplicity of our reconfiguration process,…

Condensed Matter · Physics 2007-05-23 M. Calandra , S. Sorella

In this work we present a novel quantum Monte-Carlo method for fermions, based on an exact decomposition of the Boltzmann operator $exp(-\beta H)$. It can be seen as a synthesis of several related methods. It has the advantage that it is…

Strongly Correlated Electrons · Physics 2009-10-31 S. Rombouts , K. Heyde , N. Jachowicz

We present a generalization of the phaseless auxiliary-field quantum Monte Carlo (AFQMC) method to cavity quantum-electrodynamical (QED) matter systems. The method can be formulated in both the Coulomb and the dipole gauge. We verify its…

Chemical Physics · Physics 2025-03-04 Lukas Weber , Leonardo dos Anjos Cunha , Miguel A. Morales , Angel Rubio , Shiwei Zhang

Diagrammatic Monte Carlo -- the technique for numerically exact summation of all Feynman diagrams to high orders -- offers a unique unbiased probe of continuous phase transitions. Being formulated directly in the thermodynamic limit, the…

Strongly Correlated Electrons · Physics 2022-09-07 Connor Lenihan , Aaram J. Kim , Fedor Šimkovic IV. , Evgeny Kozik

Quantum Monte Carlo simulations of quantum many body systems are plagued by the Fermion sign problem. The computational complexity of simulating Fermions scales exponentially in the projection time $\beta$ and system size. The sign problem…

Strongly Correlated Electrons · Physics 2021-06-02 Ryan Levy , Bryan K. Clark

We describe non-relativistic fermions on the lattice (Hubbard model) in the canonical formulation using transfer matrices in fixed fermion number sectors such that the partition function becomes fully factorized in time. By analytically…

High Energy Physics - Lattice · Physics 2019-12-20 Sebastian Burri , Urs Wenger

Field-level inference provides a means to optimally extract information from upcoming cosmological surveys, but requires efficient sampling of a high-dimensional parameter space. This work applies Microcanonical Langevin Monte Carlo (MCLMC)…

Cosmology and Nongalactic Astrophysics · Physics 2023-07-20 Adrian E. Bayer , Uros Seljak , Chirag Modi

Several studies have emphasized the impact of long-range Coulomb interactions in lattice fermions, yet conventional Auxiliary Field Quantum Monte Carlo (QMC) methods face limitations due to their reliance on positive definite interaction…

Strongly Correlated Electrons · Physics 2024-12-09 Mohammad-Sadegh Vaezi , Davoud Nasr Esfahani

Quantum Monte Carlo (QMC) methods offer exact solutions for quantum many-body systems but face severe limitations in fermionic systems like atomic nuclei due to the sign problem. While sign-problem-free QMC algorithms exist and provide…

Nuclear Theory · Physics 2026-01-06 Zhong-Wang Niu , Bing-Nan Lu

We present a method for calculating first-order response properties in phaseless auxiliary field quantum Monte Carlo (AFQMC) through the application of automatic differentiation (AD). Biases and statistical efficiency of the resulting…

Chemical Physics · Physics 2023-08-11 Ankit Mahajan , Jo S. Kurian , Joonho Lee , David R. Reichman , Sandeep Sharma

Using fermionic representation of spin degrees of freedom within the Popov-Fedotov approach we develop an algorithm for Monte Carlo sampling of skeleton Feynman diagrams for Heisenberg type models. Our scheme works without modifications for…

Strongly Correlated Electrons · Physics 2013-02-07 Sergey Kulagin , Nikolay Prokof'ev , Oleg Starykh , Boris Svistunov , Christopher N. Varney

We introduce a Quantum Monte Carlo (QMC) method which efficiently simulates in a sign-problem-free way a broad class of frustrated $S=1/2$ models with competing antiferromagnetic interactions. Our scheme uses the basis of total spin…

Strongly Correlated Electrons · Physics 2016-11-09 Fabien Alet , Kedar Damle , Sumiran Pujari

Ground state properties of multi-orbital Hubbard models are investigated by the auxiliary field quantum Monte Carlo method. A Monte Carlo technique generalized to the multi-orbital systems is introduced and examined in detail. The algorithm…

Strongly Correlated Electrons · Physics 2009-10-31 Yukitoshi Motome , Masatoshi Imada

The fermion sign problem remains the primary obstacle in simulating the thermodynamic properties of various fermionic systems. In this work, we present a sign-blocking method to mitigate the numerical instability inherent in the sign…

Computational Physics · Physics 2026-04-14 Yunuo Xiong , Hongwei Xiong

Boson lattices are theoretically well described by the Hubbard model. The basic model and its variants can be effectively simulated using Monte Carlo techniques. We describe two newly developed approaches, the Stochastic Series Expansion…

Statistical Mechanics · Physics 2009-11-11 Vesa Apaja , Olav F. Syljuasen

Recently, a new method, based on stochastic integration on the surfaces of steepest descent of the action, was introduced to tackle the sign problem in quantum field theories. We show how this method can be used in many body theories to…

Strongly Correlated Electrons · Physics 2014-03-25 Abhishek Mukherjee , Marco Cristoforetti

A new method for the stabilization of the sign problem in the Green Function Monte Carlo technique is proposed. The method is devised for real lattice Hamiltonians and is based on an iterative ''stochastic reconfiguration'' scheme which…

Condensed Matter · Physics 2009-10-31 S. Sorella

Stoquastic Hamiltonians are characterized by the property that their off-diagonal matrix elements in the standard product basis are real and non-positive. Many interesting quantum models fall into this class including the Transverse field…

Quantum Physics · Physics 2017-01-13 Sergey Bravyi